SCHEMBL7380692

SCHEMBL7380692

COC=C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.55
MC4R P32245 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
ACHE P22303 1/20 0.49
DRD4 P21917 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CCR3 P51677 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9572745 0.82 ALDH1A1 (0.57) POLBACHEMEN1KMT2AHSD17B10
SCHEMBL4772258 0.81 SIGMAR1 (0.61) SIGMAR1MC4RLMNAPOLBHRH3
SCHEMBL8380136 0.78 SIGMAR1 (0.57) SIGMAR1MC4RLMNAPOLBHRH3
SCHEMBL5036890 0.77 KMT2A (0.48) SIGMAR1LMNAACHEMEN1KMT2A
SCHEMBL3168599 0.76 SIGMAR1 (0.66) SIGMAR1LMNAACHEMEN1KMT2A
SCHEMBL2257602 0.76 SIGMAR1 (0.59) SIGMAR1MC4RLMNAPOLBHRH3
SCHEMBL4506489 0.75 SIGMAR1 (0.53) SIGMAR1MC4RLMNAPOLBHRH3
SCHEMBL2452523 0.75 SIGMAR1 (0.57) SIGMAR1MC4RLMNAPOLBHRH3
SCHEMBL28543867 0.75 SIGMAR1 (0.57) SIGMAR1MC4RLMNAPOLBHRH3
SCHEMBL15012035 0.74 SIGMAR1 (0.68) SIGMAR1MC4RLMNAPOLBACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed
US-5116846-A N-ARALKYL PIPERIDINE DERIVATIVES AS PSYCHOTROPIC DRUGS DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-05-26 US disclosed
EP-0449186-A2 N-aralkyl piperidine derivatives as psychotropic drugs THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-10-02 EP disclosed